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1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy- (9CI) manufacturers
- PF-00835231
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- $52.00
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2026-07-27
- CAS:870153-29-0
- Purity: 99.30%
- Supply Ability: 10g
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| | 1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy- (9CI) Basic information |
| Product Name: | 1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy- (9CI) | | Synonyms: | 1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy- (9CI);PF-00835231 (PF-835231);N-((S)-1-(((S)-4-Hydroxy-3-oxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-methoxy-1H-indole-2-carboxamide;Inhibitor,SARS coronavirus,PF00835231,PF-00835231,SARS CoV-2,COVID-19,SARS-CoV,SARS CoV-1,3CLpro,inhibit,PF 00835231;PF 835231;PF835231;PF-835231;PF-00835231, 10 mM in DMSO | | CAS: | 870153-29-0 | | MF: | C24H32N4O6 | | MW: | 472.53 | | EINECS: | | | Product Categories: | | | Mol File: | 870153-29-0.mol | ![1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy- (9CI) Structure](CAS/20210111/GIF/870153-29-0.gif) |
| | 1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy- (9CI) Chemical Properties |
| Boiling point | 865.8±65.0 °C(Predicted) | | density | 1.264±0.06 g/cm3(Predicted) | | storage temp. | Store at -20°C | | solubility | DMSO : 250 mg/mL (529.07 mM; Need ultrasonic) | | form | A solid | | pka | 12.76±0.10(Predicted) | | color | White to off-white | | InChIKey | QDIMHKWNHMVDJB-WBAXXEDZSA-N | | SMILES | COC1=C2C(NC(C(N[C@@H](CC(C)C)C(N[C@H](C(CO)=O)C[C@H]3C(NCC3)=O)=O)=O)=C2)=CC=C1 |
| WGK Germany | WGK 3 | | Storage Class | 11 - Combustible Solids |
| | 1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy- (9CI) Usage And Synthesis |
| Uses | PF-00835231 is a CoV-2 cysteine 3C-like protease (3CLpro) inhibitor, with IC50s of 0.27 nM and 4 nM for SARS CoV-2 and SARS CoV-1 3CLpro, respectively. PF-00835231 is developed for the research of anti-SARS-CoV-2/COVID-19. PF-00835231 can inhibit cell infections and also suppress infections in animal models[1][2][3]. | | Definition | ChEBI: PF-00835231 is a primary alcohol resulting from the cleavage of the phosphate group of the prodrug PF-07304814. It is an inhibitor of SARS-CoV-1 and -2 main protease (3CLpro) and exhibits potent in vitro antiviral activity. It has a role as an anticoronaviral agent, an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor and a drug metabolite. It is an aromatic ether, a L-leucine derivative, an indolecarboxamide, a member of pyrrolidin-2-ones, a secondary carboxamide and a primary alcohol. | | Biological Activity | Potent and selective corona virus hCoV, SARS CoV-1 & CoV-2 main protease (Mpro; 3CLpro) substrate site Cys145 covalent inhibitor with low host cytotoxicity. | | in vivo | PF-00835231 reduces the number of multifocal lung lesions and lung viral load in the SARS-CoV-MA15 infected BALB/c mouse model, being effective both early and late in the viral infection[3]. | | IC 50 | HIV-1; HRV3C: 2.79 μM (IC50) | | References | [1] Robert L Hoffman, et al. Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J Med Chem. 2020 Nov 12;63(21):12725-12747. DOI:10.1021/acs.jmedchem.0c01063 [2] de Vries M, et al. A comparative analysis of SARS-CoV-2 antivirals in human airway models characterizes 3CLpro inhibitor PF-00835231 as a potential new treatment for COVID-19. bioRxiv [Preprint]. 2021 Feb 19:2020.08.28.272880. DOI:10.1101/2020.08.28.272880 [3] Wujun Chen, wt al. Review of preclinical data of PF-07304814 and its active metabolite derivatives against SARS-CoV-2 infection. Front Pharmacol. 2022 Nov 11:13:1035969. DOI:10.3389/fphar.2022.1035969 |
| | 1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy- (9CI) Preparation Products And Raw materials |
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